M544-0601 Screening compound: N-(5-chloro-2-fluorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

M544-0601 Screening compound: N-(5-chloro-2-fluorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
M544-0601 Screening compound: N-(5-chloro-2-fluorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M544-0601
N-(5-chloro-2-fluorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M544-0601

Molecular Formula

C15H12ClFN2O2S3 (C15 H12 ClFN2 O2 S3)

Compound Name

N-(5-chloro-2-fluorophenyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

IUPAC name

N-(5-chloro-2-fluorophenyl)-5-(4-ethyl-13-thiazol-2-yl)thiophene-2-sulfonamide

SMILES

CCc1csc(-c(s2)ccc2S(Nc(cc(cc2)Cl)c2F)(=O)=O)n1

InChI

InChI=1S/C15H12ClFN2O2S3/c1-2-10-8-22-15(18-10)13-5-6-14(23-13)24(20,21)19-12-7-9(16)3-4-11(12)17/h3-8,19H,2H2,1H3

InChI Key

ADYKYTQEMICLNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27546842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.506

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-5.92

Polar Surface Area

51.438

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

M544-0601 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M544-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M544-0601?
Check Price and Availability of M544-0601, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M544-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M544-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M544-0601
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M544-0601 available by request